USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 265 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 ASN : amide:sc= -0.191 K(o=-0.19,f=-11!) USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 39:sc= 0.201 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -62:sc= -1.48! USER MOD Single : A 20 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.22) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= -2.21! (180deg=-2.32!) USER MOD Single : A 22 SER OG : rot -139:sc= -0.0185 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -140:sc= 0.513 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.14 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= -0.0293 (180deg=-0.167) USER MOD Single : A 36 GLN : amide:sc= -5.09! C(o=-5.1!,f=-6.1!) USER MOD Single : A 37 SER OG : rot -141:sc= 1.09 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0254 USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= -0.0689 (180deg=-0.323) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 15 -8.632 -7.616 0.327 1.00 0.00 N ATOM 2 CA SER A 15 -8.320 -7.186 -1.034 1.00 0.00 C ATOM 3 C SER A 15 -8.507 -5.682 -1.193 1.00 0.00 C ATOM 4 O SER A 15 -8.721 -4.968 -0.212 1.00 0.00 O ATOM 5 CB SER A 15 -9.196 -7.939 -2.041 1.00 0.00 C ATOM 6 OG SER A 15 -8.769 -7.703 -3.371 1.00 0.00 O ATOM 0 HA SER A 15 -7.273 -7.418 -1.230 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.161 -9.008 -1.830 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.234 -7.626 -1.929 1.00 0.00 H new ATOM 0 HG SER A 15 -7.790 -7.680 -3.401 1.00 0.00 H new ATOM 12 N MET A 16 -8.399 -5.210 -2.436 1.00 0.00 N ATOM 13 CA MET A 16 -8.556 -3.792 -2.748 1.00 0.00 C ATOM 14 C MET A 16 -7.368 -2.971 -2.244 1.00 0.00 C ATOM 15 O MET A 16 -7.519 -2.074 -1.410 1.00 0.00 O ATOM 16 CB MET A 16 -9.871 -3.257 -2.170 1.00 0.00 C ATOM 17 CG MET A 16 -11.030 -3.312 -3.152 1.00 0.00 C ATOM 18 SD MET A 16 -11.347 -4.978 -3.763 1.00 0.00 S ATOM 19 CE MET A 16 -12.675 -4.663 -4.922 1.00 0.00 C ATOM 0 H MET A 16 -8.202 -5.796 -3.247 1.00 0.00 H new ATOM 0 HA MET A 16 -8.587 -3.692 -3.833 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.130 -3.833 -1.282 1.00 0.00 H new ATOM 0 HB3 MET A 16 -9.725 -2.226 -1.849 1.00 0.00 H new ATOM 0 HG2 MET A 16 -11.929 -2.930 -2.668 1.00 0.00 H new ATOM 0 HG3 MET A 16 -10.818 -2.655 -3.995 1.00 0.00 H new ATOM 0 HE1 MET A 16 -12.984 -5.600 -5.385 1.00 0.00 H new ATOM 0 HE2 MET A 16 -13.521 -4.223 -4.395 1.00 0.00 H new ATOM 0 HE3 MET A 16 -12.330 -3.974 -5.693 1.00 0.00 H new ATOM 29 N TRP A 17 -6.184 -3.286 -2.769 1.00 0.00 N ATOM 30 CA TRP A 17 -4.958 -2.583 -2.398 1.00 0.00 C ATOM 31 C TRP A 17 -4.186 -2.164 -3.646 1.00 0.00 C ATOM 32 O TRP A 17 -4.186 -2.876 -4.650 1.00 0.00 O ATOM 33 CB TRP A 17 -4.054 -3.472 -1.537 1.00 0.00 C ATOM 34 CG TRP A 17 -4.728 -4.051 -0.330 1.00 0.00 C ATOM 35 CD1 TRP A 17 -5.574 -5.118 -0.301 1.00 0.00 C ATOM 36 CD2 TRP A 17 -4.595 -3.607 1.026 1.00 0.00 C ATOM 37 NE1 TRP A 17 -5.987 -5.361 0.986 1.00 0.00 N ATOM 38 CE2 TRP A 17 -5.399 -4.447 1.819 1.00 0.00 C ATOM 39 CE3 TRP A 17 -3.879 -2.578 1.647 1.00 0.00 C ATOM 40 CZ2 TRP A 17 -5.504 -4.293 3.199 1.00 0.00 C ATOM 41 CZ3 TRP A 17 -3.987 -2.427 3.016 1.00 0.00 C ATOM 42 CH2 TRP A 17 -4.793 -3.279 3.779 1.00 0.00 C ATOM 0 H TRP A 17 -6.049 -4.028 -3.456 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.246 -1.701 -1.826 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.673 -4.287 -2.152 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.192 -2.888 -1.213 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.876 -5.690 -1.165 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.627 -6.101 1.274 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.254 -1.915 1.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -6.124 -4.951 3.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.439 -1.636 3.507 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -4.855 -3.133 4.847 1.00 0.00 H new ATOM 53 N THR A 18 -3.534 -1.009 -3.579 1.00 0.00 N ATOM 54 CA THR A 18 -2.743 -0.515 -4.702 1.00 0.00 C ATOM 55 C THR A 18 -1.257 -0.640 -4.396 1.00 0.00 C ATOM 56 O THR A 18 -0.836 -0.465 -3.251 1.00 0.00 O ATOM 57 CB THR A 18 -3.072 0.951 -5.036 1.00 0.00 C ATOM 58 OG1 THR A 18 -2.796 1.783 -3.906 1.00 0.00 O ATOM 59 CG2 THR A 18 -4.532 1.101 -5.437 1.00 0.00 C ATOM 0 H THR A 18 -3.537 -0.398 -2.762 1.00 0.00 H new ATOM 0 HA THR A 18 -2.996 -1.127 -5.568 1.00 0.00 H new ATOM 0 HB THR A 18 -2.448 1.258 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.370 1.519 -3.157 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.740 2.146 -5.668 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.733 0.488 -6.315 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.170 0.777 -4.615 1.00 0.00 H new ATOM 67 N GLU A 19 -0.463 -0.933 -5.423 1.00 0.00 N ATOM 68 CA GLU A 19 0.976 -1.098 -5.250 1.00 0.00 C ATOM 69 C GLU A 19 1.749 0.111 -5.766 1.00 0.00 C ATOM 70 O GLU A 19 1.579 0.531 -6.912 1.00 0.00 O ATOM 71 CB GLU A 19 1.451 -2.364 -5.967 1.00 0.00 C ATOM 72 CG GLU A 19 2.956 -2.574 -5.900 1.00 0.00 C ATOM 73 CD GLU A 19 3.409 -3.804 -6.665 1.00 0.00 C ATOM 74 OE1 GLU A 19 3.622 -3.694 -7.891 1.00 0.00 O ATOM 75 OE2 GLU A 19 3.552 -4.873 -6.039 1.00 0.00 O ATOM 0 H GLU A 19 -0.791 -1.061 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 19 1.171 -1.189 -4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.952 -3.228 -5.529 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.146 -2.316 -7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.460 -1.695 -6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.260 -2.667 -4.857 1.00 0.00 H new ATOM 82 N HIS A 20 2.599 0.662 -4.906 1.00 0.00 N ATOM 83 CA HIS A 20 3.422 1.812 -5.255 1.00 0.00 C ATOM 84 C HIS A 20 4.790 1.700 -4.589 1.00 0.00 C ATOM 85 O HIS A 20 4.956 0.961 -3.617 1.00 0.00 O ATOM 86 CB HIS A 20 2.735 3.115 -4.845 1.00 0.00 C ATOM 87 CG HIS A 20 1.667 3.558 -5.796 1.00 0.00 C ATOM 88 ND1 HIS A 20 1.942 4.107 -7.032 1.00 0.00 N ATOM 89 CD2 HIS A 20 0.318 3.532 -5.690 1.00 0.00 C ATOM 90 CE1 HIS A 20 0.808 4.401 -7.641 1.00 0.00 C ATOM 91 NE2 HIS A 20 -0.191 4.062 -6.850 1.00 0.00 N ATOM 0 H HIS A 20 2.736 0.326 -3.953 1.00 0.00 H new ATOM 0 HA HIS A 20 3.557 1.824 -6.337 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.298 2.989 -3.855 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.486 3.901 -4.764 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.252 3.163 -4.850 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.714 4.844 -8.621 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.182 4.175 -7.065 1.00 0.00 H new ATOM 100 N LYS A 21 5.768 2.435 -5.107 1.00 0.00 N ATOM 101 CA LYS A 21 7.121 2.386 -4.562 1.00 0.00 C ATOM 102 C LYS A 21 7.519 3.698 -3.890 1.00 0.00 C ATOM 103 O LYS A 21 7.795 4.689 -4.565 1.00 0.00 O ATOM 104 CB LYS A 21 8.118 2.048 -5.672 1.00 0.00 C ATOM 105 CG LYS A 21 9.516 1.735 -5.165 1.00 0.00 C ATOM 106 CD LYS A 21 10.438 1.317 -6.298 1.00 0.00 C ATOM 107 CE LYS A 21 11.788 0.848 -5.778 1.00 0.00 C ATOM 108 NZ LYS A 21 12.505 1.924 -5.041 1.00 0.00 N ATOM 0 H LYS A 21 5.651 3.068 -5.898 1.00 0.00 H new ATOM 0 HA LYS A 21 7.138 1.608 -3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.745 1.192 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.173 2.886 -6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.927 2.611 -4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.465 0.938 -4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.971 0.517 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.581 2.156 -6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.645 -0.009 -5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.401 0.510 -6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.413 1.558 -4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.679 2.726 -5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.925 2.241 -4.238 1.00 0.00 H new ATOM 122 N SER A 22 7.537 3.693 -2.556 1.00 0.00 N ATOM 123 CA SER A 22 7.930 4.865 -1.784 1.00 0.00 C ATOM 124 C SER A 22 9.229 5.462 -2.330 1.00 0.00 C ATOM 125 O SER A 22 10.157 4.726 -2.680 1.00 0.00 O ATOM 126 CB SER A 22 8.116 4.489 -0.314 1.00 0.00 C ATOM 127 OG SER A 22 8.496 5.616 0.455 1.00 0.00 O ATOM 0 H SER A 22 7.282 2.884 -1.989 1.00 0.00 H new ATOM 0 HA SER A 22 7.139 5.610 -1.869 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.188 4.073 0.079 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.876 3.712 -0.227 1.00 0.00 H new ATOM 0 HG SER A 22 9.185 5.354 1.101 1.00 0.00 H new ATOM 133 N PRO A 23 9.318 6.807 -2.374 1.00 0.00 N ATOM 134 CA PRO A 23 10.489 7.521 -2.904 1.00 0.00 C ATOM 135 C PRO A 23 11.769 7.205 -2.143 1.00 0.00 C ATOM 136 O PRO A 23 12.869 7.443 -2.641 1.00 0.00 O ATOM 137 CB PRO A 23 10.115 9.001 -2.739 1.00 0.00 C ATOM 138 CG PRO A 23 8.631 9.006 -2.607 1.00 0.00 C ATOM 139 CD PRO A 23 8.295 7.740 -1.881 1.00 0.00 C ATOM 0 HA PRO A 23 10.701 7.233 -3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.592 9.434 -1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.438 9.589 -3.598 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.288 9.880 -2.053 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.149 9.039 -3.584 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.349 7.866 -0.800 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.287 7.395 -2.112 1.00 0.00 H new ATOM 147 N ASP A 24 11.620 6.673 -0.936 1.00 0.00 N ATOM 148 CA ASP A 24 12.772 6.316 -0.117 1.00 0.00 C ATOM 149 C ASP A 24 13.314 4.953 -0.532 1.00 0.00 C ATOM 150 O ASP A 24 14.094 4.334 0.192 1.00 0.00 O ATOM 151 CB ASP A 24 12.390 6.300 1.365 1.00 0.00 C ATOM 152 CG ASP A 24 11.831 7.630 1.834 1.00 0.00 C ATOM 153 OD1 ASP A 24 12.627 8.486 2.274 1.00 0.00 O ATOM 154 OD2 ASP A 24 10.597 7.813 1.763 1.00 0.00 O ATOM 0 H ASP A 24 10.717 6.480 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 24 13.549 7.065 -0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.651 5.517 1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.267 6.048 1.961 1.00 0.00 H new ATOM 159 N GLY A 25 12.892 4.495 -1.708 1.00 0.00 N ATOM 160 CA GLY A 25 13.333 3.207 -2.206 1.00 0.00 C ATOM 161 C GLY A 25 12.625 2.060 -1.519 1.00 0.00 C ATOM 162 O GLY A 25 13.206 0.993 -1.318 1.00 0.00 O ATOM 0 H GLY A 25 12.251 4.995 -2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.153 3.153 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.408 3.110 -2.058 1.00 0.00 H new ATOM 166 N ARG A 26 11.361 2.276 -1.163 1.00 0.00 N ATOM 167 CA ARG A 26 10.575 1.252 -0.479 1.00 0.00 C ATOM 168 C ARG A 26 9.310 0.926 -1.262 1.00 0.00 C ATOM 169 O ARG A 26 8.935 1.650 -2.180 1.00 0.00 O ATOM 170 CB ARG A 26 10.192 1.712 0.933 1.00 0.00 C ATOM 171 CG ARG A 26 10.985 2.908 1.440 1.00 0.00 C ATOM 172 CD ARG A 26 12.267 2.484 2.146 1.00 0.00 C ATOM 173 NE ARG A 26 13.073 1.571 1.342 1.00 0.00 N ATOM 174 CZ ARG A 26 14.386 1.417 1.497 1.00 0.00 C ATOM 175 NH1 ARG A 26 15.036 2.117 2.416 1.00 0.00 N ATOM 176 NH2 ARG A 26 15.049 0.562 0.731 1.00 0.00 N ATOM 0 H ARG A 26 10.860 3.148 -1.336 1.00 0.00 H new ATOM 0 HA ARG A 26 11.192 0.356 -0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.131 1.963 0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.331 0.880 1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.231 3.561 0.603 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.368 3.488 2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.856 3.369 2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.015 2.004 3.092 1.00 0.00 H new ATOM 0 HE ARG A 26 12.605 1.021 0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.530 2.776 3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.042 1.996 2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.553 0.022 0.022 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.055 0.445 0.850 1.00 0.00 H new ATOM 190 N THR A 27 8.668 -0.178 -0.902 1.00 0.00 N ATOM 191 CA THR A 27 7.433 -0.594 -1.558 1.00 0.00 C ATOM 192 C THR A 27 6.256 -0.468 -0.597 1.00 0.00 C ATOM 193 O THR A 27 6.114 -1.266 0.329 1.00 0.00 O ATOM 194 CB THR A 27 7.525 -2.047 -2.063 1.00 0.00 C ATOM 195 OG1 THR A 27 8.660 -2.197 -2.923 1.00 0.00 O ATOM 196 CG2 THR A 27 6.262 -2.443 -2.813 1.00 0.00 C ATOM 0 H THR A 27 8.982 -0.802 -0.159 1.00 0.00 H new ATOM 0 HA THR A 27 7.280 0.061 -2.415 1.00 0.00 H new ATOM 0 HB THR A 27 7.635 -2.700 -1.197 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.712 -3.124 -3.238 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.352 -3.473 -3.159 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.402 -2.357 -2.148 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.125 -1.783 -3.670 1.00 0.00 H new ATOM 204 N TYR A 28 5.413 0.537 -0.819 1.00 0.00 N ATOM 205 CA TYR A 28 4.259 0.764 0.046 1.00 0.00 C ATOM 206 C TYR A 28 2.955 0.474 -0.691 1.00 0.00 C ATOM 207 O TYR A 28 2.927 0.405 -1.920 1.00 0.00 O ATOM 208 CB TYR A 28 4.269 2.202 0.582 1.00 0.00 C ATOM 209 CG TYR A 28 3.676 3.229 -0.363 1.00 0.00 C ATOM 210 CD1 TYR A 28 4.461 3.865 -1.316 1.00 0.00 C ATOM 211 CD2 TYR A 28 2.331 3.570 -0.287 1.00 0.00 C ATOM 212 CE1 TYR A 28 3.922 4.811 -2.169 1.00 0.00 C ATOM 213 CE2 TYR A 28 1.784 4.515 -1.136 1.00 0.00 C ATOM 214 CZ TYR A 28 2.584 5.132 -2.074 1.00 0.00 C ATOM 215 OH TYR A 28 2.043 6.073 -2.921 1.00 0.00 O ATOM 0 H TYR A 28 5.506 1.203 -1.586 1.00 0.00 H new ATOM 0 HA TYR A 28 4.326 0.077 0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.717 2.230 1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.297 2.485 0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.509 3.617 -1.392 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.702 3.089 0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.546 5.296 -2.906 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.736 4.768 -1.065 1.00 0.00 H new ATOM 0 HH TYR A 28 1.416 6.639 -2.424 1.00 0.00 H new ATOM 225 N TYR A 29 1.877 0.306 0.070 1.00 0.00 N ATOM 226 CA TYR A 29 0.571 0.018 -0.513 1.00 0.00 C ATOM 227 C TYR A 29 -0.492 0.969 0.026 1.00 0.00 C ATOM 228 O TYR A 29 -0.377 1.477 1.140 1.00 0.00 O ATOM 229 CB TYR A 29 0.173 -1.432 -0.228 1.00 0.00 C ATOM 230 CG TYR A 29 1.095 -2.449 -0.863 1.00 0.00 C ATOM 231 CD1 TYR A 29 2.301 -2.789 -0.264 1.00 0.00 C ATOM 232 CD2 TYR A 29 0.762 -3.066 -2.062 1.00 0.00 C ATOM 233 CE1 TYR A 29 3.149 -3.715 -0.840 1.00 0.00 C ATOM 234 CE2 TYR A 29 1.604 -3.996 -2.644 1.00 0.00 C ATOM 235 CZ TYR A 29 2.796 -4.315 -2.029 1.00 0.00 C ATOM 236 OH TYR A 29 3.637 -5.237 -2.607 1.00 0.00 O ATOM 0 H TYR A 29 1.882 0.364 1.088 1.00 0.00 H new ATOM 0 HA TYR A 29 0.642 0.163 -1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.158 -1.591 0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.842 -1.599 -0.589 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.581 -2.321 0.668 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.170 -2.815 -2.548 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.084 -3.967 -0.361 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.329 -4.470 -3.575 1.00 0.00 H new ATOM 0 HH TYR A 29 3.239 -5.565 -3.440 1.00 0.00 H new ATOM 246 N TYR A 30 -1.525 1.207 -0.777 1.00 0.00 N ATOM 247 CA TYR A 30 -2.615 2.098 -0.385 1.00 0.00 C ATOM 248 C TYR A 30 -3.961 1.386 -0.492 1.00 0.00 C ATOM 249 O TYR A 30 -4.391 1.012 -1.582 1.00 0.00 O ATOM 250 CB TYR A 30 -2.605 3.359 -1.262 1.00 0.00 C ATOM 251 CG TYR A 30 -3.826 4.244 -1.101 1.00 0.00 C ATOM 252 CD1 TYR A 30 -5.001 3.975 -1.793 1.00 0.00 C ATOM 253 CD2 TYR A 30 -3.800 5.353 -0.262 1.00 0.00 C ATOM 254 CE1 TYR A 30 -6.114 4.782 -1.653 1.00 0.00 C ATOM 255 CE2 TYR A 30 -4.910 6.163 -0.117 1.00 0.00 C ATOM 256 CZ TYR A 30 -6.064 5.873 -0.813 1.00 0.00 C ATOM 257 OH TYR A 30 -7.170 6.679 -0.671 1.00 0.00 O ATOM 0 H TYR A 30 -1.631 0.795 -1.704 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.467 2.390 0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.715 3.943 -1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.524 3.059 -2.307 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.045 3.120 -2.452 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.898 5.585 0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.018 4.559 -2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.874 7.020 0.539 1.00 0.00 H new ATOM 0 HH TYR A 30 -6.969 7.403 -0.042 1.00 0.00 H new ATOM 267 N ASN A 31 -4.621 1.200 0.647 1.00 0.00 N ATOM 268 CA ASN A 31 -5.925 0.545 0.676 1.00 0.00 C ATOM 269 C ASN A 31 -6.991 1.475 0.113 1.00 0.00 C ATOM 270 O ASN A 31 -7.128 2.614 0.563 1.00 0.00 O ATOM 271 CB ASN A 31 -6.286 0.138 2.106 1.00 0.00 C ATOM 272 CG ASN A 31 -7.491 -0.782 2.164 1.00 0.00 C ATOM 273 OD1 ASN A 31 -8.386 -0.709 1.321 1.00 0.00 O ATOM 274 ND2 ASN A 31 -7.518 -1.657 3.163 1.00 0.00 N ATOM 0 H ASN A 31 -4.275 1.493 1.561 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.877 -0.353 0.060 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.431 -0.359 2.565 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.488 1.033 2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.302 -2.303 3.254 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.755 -1.683 3.839 1.00 0.00 H new ATOM 281 N THR A 32 -7.748 0.984 -0.868 1.00 0.00 N ATOM 282 CA THR A 32 -8.793 1.788 -1.497 1.00 0.00 C ATOM 283 C THR A 32 -10.110 1.706 -0.728 1.00 0.00 C ATOM 284 O THR A 32 -10.865 2.677 -0.682 1.00 0.00 O ATOM 285 CB THR A 32 -9.029 1.369 -2.961 1.00 0.00 C ATOM 286 OG1 THR A 32 -10.165 2.061 -3.493 1.00 0.00 O ATOM 287 CG2 THR A 32 -9.247 -0.131 -3.071 1.00 0.00 C ATOM 0 H THR A 32 -7.658 0.039 -1.242 1.00 0.00 H new ATOM 0 HA THR A 32 -8.440 2.819 -1.478 1.00 0.00 H new ATOM 0 HB THR A 32 -8.141 1.632 -3.535 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.307 1.790 -4.424 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.411 -0.399 -4.115 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.368 -0.655 -2.696 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.119 -0.416 -2.482 1.00 0.00 H new ATOM 295 N GLU A 33 -10.387 0.550 -0.132 1.00 0.00 N ATOM 296 CA GLU A 33 -11.616 0.369 0.636 1.00 0.00 C ATOM 297 C GLU A 33 -11.587 1.219 1.900 1.00 0.00 C ATOM 298 O GLU A 33 -12.421 2.106 2.083 1.00 0.00 O ATOM 299 CB GLU A 33 -11.817 -1.104 0.998 1.00 0.00 C ATOM 300 CG GLU A 33 -12.309 -1.949 -0.165 1.00 0.00 C ATOM 301 CD GLU A 33 -13.693 -1.545 -0.635 1.00 0.00 C ATOM 302 OE1 GLU A 33 -13.788 -0.651 -1.503 1.00 0.00 O ATOM 303 OE2 GLU A 33 -14.682 -2.122 -0.136 1.00 0.00 O ATOM 0 H GLU A 33 -9.782 -0.271 -0.165 1.00 0.00 H new ATOM 0 HA GLU A 33 -12.453 0.691 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.874 -1.513 1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.532 -1.175 1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.608 -1.862 -0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.322 -2.998 0.132 1.00 0.00 H new ATOM 310 N THR A 34 -10.620 0.943 2.768 1.00 0.00 N ATOM 311 CA THR A 34 -10.474 1.689 4.009 1.00 0.00 C ATOM 312 C THR A 34 -9.959 3.095 3.723 1.00 0.00 C ATOM 313 O THR A 34 -10.103 4.002 4.543 1.00 0.00 O ATOM 314 CB THR A 34 -9.509 0.980 4.979 1.00 0.00 C ATOM 315 OG1 THR A 34 -9.943 -0.368 5.199 1.00 0.00 O ATOM 316 CG2 THR A 34 -9.434 1.713 6.311 1.00 0.00 C ATOM 0 H THR A 34 -9.926 0.208 2.634 1.00 0.00 H new ATOM 0 HA THR A 34 -11.457 1.746 4.477 1.00 0.00 H new ATOM 0 HB THR A 34 -8.516 0.979 4.529 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.325 -0.814 5.815 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.746 1.190 6.976 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.078 2.730 6.147 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.424 1.744 6.766 1.00 0.00 H new ATOM 324 N LYS A 35 -9.359 3.262 2.546 1.00 0.00 N ATOM 325 CA LYS A 35 -8.819 4.552 2.132 1.00 0.00 C ATOM 326 C LYS A 35 -7.731 5.009 3.092 1.00 0.00 C ATOM 327 O LYS A 35 -7.924 5.947 3.866 1.00 0.00 O ATOM 328 CB LYS A 35 -9.931 5.602 2.060 1.00 0.00 C ATOM 329 CG LYS A 35 -11.117 5.178 1.213 1.00 0.00 C ATOM 330 CD LYS A 35 -12.241 6.197 1.281 1.00 0.00 C ATOM 331 CE LYS A 35 -13.467 5.729 0.515 1.00 0.00 C ATOM 332 NZ LYS A 35 -13.981 4.429 1.030 1.00 0.00 N ATOM 0 H LYS A 35 -9.235 2.516 1.861 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.383 4.436 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.277 5.821 3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.520 6.527 1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.800 5.053 0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.482 4.209 1.554 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.508 6.376 2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.897 7.147 0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.250 6.483 0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.218 5.628 -0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.907 4.227 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.313 3.670 0.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.082 4.481 2.064 1.00 0.00 H new ATOM 346 N GLN A 36 -6.584 4.339 3.039 1.00 0.00 N ATOM 347 CA GLN A 36 -5.469 4.682 3.913 1.00 0.00 C ATOM 348 C GLN A 36 -4.150 4.162 3.347 1.00 0.00 C ATOM 349 O GLN A 36 -4.135 3.323 2.447 1.00 0.00 O ATOM 350 CB GLN A 36 -5.713 4.128 5.321 1.00 0.00 C ATOM 351 CG GLN A 36 -5.124 2.744 5.569 1.00 0.00 C ATOM 352 CD GLN A 36 -3.789 2.789 6.279 1.00 0.00 C ATOM 353 OE1 GLN A 36 -2.950 1.907 6.110 1.00 0.00 O ATOM 354 NE2 GLN A 36 -3.582 3.825 7.076 1.00 0.00 N ATOM 0 H GLN A 36 -6.403 3.561 2.405 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.399 5.768 3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.293 4.823 6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.787 4.089 5.501 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.825 2.158 6.162 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.005 2.229 4.615 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.306 4.535 7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.699 3.913 7.578 1.00 0.00 H new ATOM 363 N SER A 37 -3.047 4.670 3.884 1.00 0.00 N ATOM 364 CA SER A 37 -1.719 4.269 3.435 1.00 0.00 C ATOM 365 C SER A 37 -1.067 3.330 4.446 1.00 0.00 C ATOM 366 O SER A 37 -1.045 3.614 5.642 1.00 0.00 O ATOM 367 CB SER A 37 -0.846 5.506 3.231 1.00 0.00 C ATOM 368 OG SER A 37 -1.553 6.516 2.531 1.00 0.00 O ATOM 0 H SER A 37 -3.046 5.362 4.633 1.00 0.00 H new ATOM 0 HA SER A 37 -1.818 3.738 2.488 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.520 5.889 4.198 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.052 5.234 2.676 1.00 0.00 H new ATOM 0 HG SER A 37 -0.951 6.957 1.896 1.00 0.00 H new ATOM 374 N THR A 38 -0.529 2.213 3.957 1.00 0.00 N ATOM 375 CA THR A 38 0.109 1.231 4.827 1.00 0.00 C ATOM 376 C THR A 38 1.485 0.812 4.303 1.00 0.00 C ATOM 377 O THR A 38 1.776 0.931 3.110 1.00 0.00 O ATOM 378 CB THR A 38 -0.774 -0.022 4.980 1.00 0.00 C ATOM 379 OG1 THR A 38 -0.190 -0.923 5.927 1.00 0.00 O ATOM 380 CG2 THR A 38 -0.951 -0.728 3.644 1.00 0.00 C ATOM 0 H THR A 38 -0.523 1.968 2.967 1.00 0.00 H new ATOM 0 HA THR A 38 0.238 1.710 5.798 1.00 0.00 H new ATOM 0 HB THR A 38 -1.753 0.295 5.338 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.759 -1.715 6.019 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.578 -1.609 3.778 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.425 -0.050 2.934 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.023 -1.031 3.261 1.00 0.00 H new ATOM 388 N TRP A 39 2.320 0.310 5.213 1.00 0.00 N ATOM 389 CA TRP A 39 3.669 -0.141 4.872 1.00 0.00 C ATOM 390 C TRP A 39 3.730 -1.661 4.825 1.00 0.00 C ATOM 391 O TRP A 39 2.990 -2.343 5.534 1.00 0.00 O ATOM 392 CB TRP A 39 4.683 0.365 5.904 1.00 0.00 C ATOM 393 CG TRP A 39 5.028 1.816 5.771 1.00 0.00 C ATOM 394 CD1 TRP A 39 4.611 2.840 6.572 1.00 0.00 C ATOM 395 CD2 TRP A 39 5.884 2.399 4.786 1.00 0.00 C ATOM 396 NE1 TRP A 39 5.151 4.028 6.139 1.00 0.00 N ATOM 397 CE2 TRP A 39 5.937 3.782 5.042 1.00 0.00 C ATOM 398 CE3 TRP A 39 6.609 1.884 3.709 1.00 0.00 C ATOM 399 CZ2 TRP A 39 6.688 4.653 4.261 1.00 0.00 C ATOM 400 CZ3 TRP A 39 7.354 2.749 2.934 1.00 0.00 C ATOM 401 CH2 TRP A 39 7.390 4.120 3.214 1.00 0.00 C ATOM 0 H TRP A 39 2.083 0.205 6.200 1.00 0.00 H new ATOM 0 HA TRP A 39 3.916 0.263 3.890 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.285 0.189 6.903 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.597 -0.223 5.816 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.953 2.733 7.422 1.00 0.00 H new ATOM 0 HE1 TRP A 39 4.993 4.942 6.564 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.587 0.827 3.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.716 5.712 4.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.918 2.362 2.098 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.985 4.771 2.590 1.00 0.00 H new ATOM 412 N GLU A 40 4.623 -2.179 3.986 1.00 0.00 N ATOM 413 CA GLU A 40 4.797 -3.618 3.833 1.00 0.00 C ATOM 414 C GLU A 40 3.530 -4.268 3.282 1.00 0.00 C ATOM 415 O GLU A 40 2.418 -3.801 3.529 1.00 0.00 O ATOM 416 CB GLU A 40 5.179 -4.259 5.171 1.00 0.00 C ATOM 417 CG GLU A 40 5.463 -5.749 5.073 1.00 0.00 C ATOM 418 CD GLU A 40 5.873 -6.352 6.402 1.00 0.00 C ATOM 419 OE1 GLU A 40 7.076 -6.298 6.733 1.00 0.00 O ATOM 420 OE2 GLU A 40 4.990 -6.878 7.112 1.00 0.00 O ATOM 0 H GLU A 40 5.240 -1.618 3.399 1.00 0.00 H new ATOM 0 HA GLU A 40 5.605 -3.783 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.060 -3.755 5.567 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.372 -4.098 5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.574 -6.261 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.254 -5.917 4.342 1.00 0.00 H new ATOM 427 N LYS A 41 3.717 -5.341 2.525 1.00 0.00 N ATOM 428 CA LYS A 41 2.602 -6.077 1.933 1.00 0.00 C ATOM 429 C LYS A 41 1.515 -6.354 2.971 1.00 0.00 C ATOM 430 O LYS A 41 1.819 -6.621 4.135 1.00 0.00 O ATOM 431 CB LYS A 41 3.089 -7.403 1.337 1.00 0.00 C ATOM 432 CG LYS A 41 4.018 -7.241 0.143 1.00 0.00 C ATOM 433 CD LYS A 41 5.459 -6.995 0.570 1.00 0.00 C ATOM 434 CE LYS A 41 6.040 -8.191 1.307 1.00 0.00 C ATOM 435 NZ LYS A 41 5.993 -9.430 0.482 1.00 0.00 N ATOM 0 H LYS A 41 4.636 -5.725 2.304 1.00 0.00 H new ATOM 0 HA LYS A 41 2.181 -5.459 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.605 -7.970 2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.224 -7.993 1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.971 -8.137 -0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.675 -6.409 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.067 -6.779 -0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.503 -6.115 1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.072 -7.979 1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.487 -8.350 2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.627 -10.145 0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.021 -9.799 0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.299 -9.213 -0.488 1.00 0.00 H new ATOM 449 N PRO A 42 0.231 -6.296 2.566 1.00 0.00 N ATOM 450 CA PRO A 42 -0.890 -6.542 3.471 1.00 0.00 C ATOM 451 C PRO A 42 -1.140 -8.030 3.693 1.00 0.00 C ATOM 452 O PRO A 42 -0.448 -8.874 3.124 1.00 0.00 O ATOM 453 CB PRO A 42 -2.066 -5.907 2.736 1.00 0.00 C ATOM 454 CG PRO A 42 -1.731 -6.067 1.294 1.00 0.00 C ATOM 455 CD PRO A 42 -0.228 -5.989 1.196 1.00 0.00 C ATOM 0 HA PRO A 42 -0.715 -6.135 4.467 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.004 -6.404 2.983 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.181 -4.857 3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.096 -7.021 0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.200 -5.285 0.697 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.163 -6.705 0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.101 -5.000 0.876 1.00 0.00 H new TER 463 PRO A 42 ATOM 464 N PRO B 5 -2.089 10.401 -7.589 1.00 0.00 N ATOM 465 CA PRO B 5 -1.415 9.298 -6.899 1.00 0.00 C ATOM 466 C PRO B 5 -1.775 9.234 -5.416 1.00 0.00 C ATOM 467 O PRO B 5 -2.064 10.260 -4.801 1.00 0.00 O ATOM 468 CB PRO B 5 0.082 9.613 -7.067 1.00 0.00 C ATOM 469 CG PRO B 5 0.154 10.830 -7.934 1.00 0.00 C ATOM 470 CD PRO B 5 -1.168 11.525 -7.795 1.00 0.00 C ATOM 0 HA PRO B 5 -1.707 8.332 -7.311 1.00 0.00 H new ATOM 0 HB2 PRO B 5 0.553 9.794 -6.101 1.00 0.00 H new ATOM 0 HB3 PRO B 5 0.608 8.776 -7.526 1.00 0.00 H new ATOM 0 HG2 PRO B 5 0.970 11.482 -7.622 1.00 0.00 H new ATOM 0 HG3 PRO B 5 0.342 10.557 -8.972 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -1.177 12.218 -6.954 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -1.421 12.101 -8.685 1.00 0.00 H new ATOM 478 N PRO B 6 -1.758 8.025 -4.817 1.00 0.00 N ATOM 479 CA PRO B 6 -2.080 7.839 -3.401 1.00 0.00 C ATOM 480 C PRO B 6 -0.928 8.284 -2.499 1.00 0.00 C ATOM 481 O PRO B 6 0.238 8.201 -2.887 1.00 0.00 O ATOM 482 CB PRO B 6 -2.306 6.324 -3.269 1.00 0.00 C ATOM 483 CG PRO B 6 -2.291 5.789 -4.664 1.00 0.00 C ATOM 484 CD PRO B 6 -1.455 6.743 -5.462 1.00 0.00 C ATOM 0 HA PRO B 6 -2.943 8.431 -3.097 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -1.525 5.863 -2.665 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -3.256 6.111 -2.778 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -1.870 4.784 -4.692 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -3.301 5.723 -5.068 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -0.394 6.500 -5.408 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -1.729 6.742 -6.517 1.00 0.00 H new ATOM 492 N PRO B 7 -1.240 8.757 -1.278 1.00 0.00 N ATOM 493 CA PRO B 7 -0.230 9.256 -0.345 1.00 0.00 C ATOM 494 C PRO B 7 0.530 8.143 0.364 1.00 0.00 C ATOM 495 O PRO B 7 -0.005 7.062 0.601 1.00 0.00 O ATOM 496 CB PRO B 7 -1.057 10.060 0.656 1.00 0.00 C ATOM 497 CG PRO B 7 -2.384 9.379 0.683 1.00 0.00 C ATOM 498 CD PRO B 7 -2.596 8.795 -0.691 1.00 0.00 C ATOM 0 HA PRO B 7 0.543 9.831 -0.855 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -0.593 10.062 1.642 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -1.152 11.101 0.346 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -2.403 8.598 1.443 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -3.177 10.085 0.931 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -3.036 7.799 -0.638 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -3.271 9.410 -1.286 1.00 0.00 H new ATOM 506 N LEU B 8 1.788 8.423 0.687 1.00 0.00 N ATOM 507 CA LEU B 8 2.637 7.461 1.377 1.00 0.00 C ATOM 508 C LEU B 8 2.295 7.428 2.871 1.00 0.00 C ATOM 509 O LEU B 8 1.921 8.452 3.444 1.00 0.00 O ATOM 510 CB LEU B 8 4.103 7.862 1.169 1.00 0.00 C ATOM 511 CG LEU B 8 5.138 7.068 1.963 1.00 0.00 C ATOM 512 CD1 LEU B 8 5.507 5.806 1.211 1.00 0.00 C ATOM 513 CD2 LEU B 8 6.372 7.917 2.227 1.00 0.00 C ATOM 0 H LEU B 8 2.243 9.312 0.481 1.00 0.00 H new ATOM 0 HA LEU B 8 2.471 6.463 0.972 1.00 0.00 H new ATOM 0 HB2 LEU B 8 4.337 7.766 0.109 1.00 0.00 H new ATOM 0 HB3 LEU B 8 4.210 8.916 1.425 1.00 0.00 H new ATOM 0 HG LEU B 8 4.708 6.788 2.925 1.00 0.00 H new ATOM 0 HD11 LEU B 8 6.246 5.244 1.783 1.00 0.00 H new ATOM 0 HD12 LEU B 8 4.616 5.194 1.068 1.00 0.00 H new ATOM 0 HD13 LEU B 8 5.925 6.070 0.240 1.00 0.00 H new ATOM 0 HD21 LEU B 8 7.099 7.336 2.794 1.00 0.00 H new ATOM 0 HD22 LEU B 8 6.813 8.223 1.278 1.00 0.00 H new ATOM 0 HD23 LEU B 8 6.090 8.801 2.798 1.00 0.00 H new ATOM 525 N PRO B 9 2.419 6.255 3.526 1.00 0.00 N ATOM 526 CA PRO B 9 2.137 6.113 4.953 1.00 0.00 C ATOM 527 C PRO B 9 3.284 6.632 5.818 1.00 0.00 C ATOM 528 O PRO B 9 4.445 6.570 5.412 1.00 0.00 O ATOM 529 CB PRO B 9 1.961 4.598 5.154 1.00 0.00 C ATOM 530 CG PRO B 9 2.105 3.975 3.801 1.00 0.00 C ATOM 531 CD PRO B 9 2.816 4.973 2.937 1.00 0.00 C ATOM 0 HA PRO B 9 1.261 6.691 5.248 1.00 0.00 H new ATOM 0 HB2 PRO B 9 2.710 4.208 5.843 1.00 0.00 H new ATOM 0 HB3 PRO B 9 0.985 4.374 5.583 1.00 0.00 H new ATOM 0 HG2 PRO B 9 2.670 3.045 3.862 1.00 0.00 H new ATOM 0 HG3 PRO B 9 1.129 3.728 3.383 1.00 0.00 H new ATOM 0 HD2 PRO B 9 3.897 4.833 2.963 1.00 0.00 H new ATOM 0 HD3 PRO B 9 2.510 4.895 1.894 1.00 0.00 H new ATOM 539 N PRO B 10 2.983 7.155 7.021 1.00 0.00 N ATOM 540 CA PRO B 10 4.004 7.674 7.931 1.00 0.00 C ATOM 541 C PRO B 10 4.795 6.554 8.600 1.00 0.00 C ATOM 542 O PRO B 10 5.783 6.087 7.995 1.00 0.00 O ATOM 543 CB PRO B 10 3.206 8.472 8.976 1.00 0.00 C ATOM 544 CG PRO B 10 1.790 8.486 8.492 1.00 0.00 C ATOM 545 CD PRO B 10 1.639 7.293 7.593 1.00 0.00 C ATOM 546 OXT PRO B 10 4.421 6.151 9.722 1.00 0.00 O ATOM 0 HA PRO B 10 4.744 8.278 7.406 1.00 0.00 H new ATOM 0 HB2 PRO B 10 3.277 8.007 9.959 1.00 0.00 H new ATOM 0 HB3 PRO B 10 3.595 9.486 9.073 1.00 0.00 H new ATOM 0 HG2 PRO B 10 1.093 8.433 9.328 1.00 0.00 H new ATOM 0 HG3 PRO B 10 1.572 9.408 7.954 1.00 0.00 H new ATOM 0 HD2 PRO B 10 1.340 6.403 8.147 1.00 0.00 H new ATOM 0 HD3 PRO B 10 0.885 7.458 6.823 1.00 0.00 H new TER 554 PRO B 10